Molecular Properties | |
SMILES: | O=C(NCc1cn(C2CCOC2)nn1)c1cncnc1 |
MW: | 274.12 |
Fraction sp3: | 0.42 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 94.82 |
cLogP: | -0.04 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-c317dd82-11
0.557
MAR-TRE-c317dd82-67
0.471
MAR-TRE-e82e6c98-16
0.455
MAR-TRE-be9ff7d2-81
0.444
MAR-TRE-e82e6c98-35
0.425
MAR-TRE-a9136c7b-17
0.412
MAR-TRE-e82e6c98-56
0.407
MAR-TRE-e82e6c98-8
0.398
MAR-TRE-c317dd82-31
0.387
MAR-TRE-4f781e27-65
0.376
MAR-TRE-799db12b-7
0.376
MAR-TRE-be9ff7d2-1
0.375
MAR-TRE-c317dd82-83
0.371
MAR-TRE-be9ff7d2-69
0.370
MAR-TRE-e82e6c98-48
0.370
MAR-TRE-8190bb11-42
0.367
MAR-TRE-a9136c7b-54
0.366
MAR-TRE-8190bb11-73
0.365
MAR-TRE-799db12b-89
0.365
MAR-TRE-e82e6c98-23
0.362
MAR-TRE-be9ff7d2-34
0.361
MAR-TRE-e82e6c98-12
0.361
MAR-TRE-c317dd82-81
0.360
MAR-TRE-799db12b-52
0.360
MAR-TRE-4f781e27-88
0.360
MAR-TRE-e82e6c98-42
0.360
MAR-TRE-799db12b-57
0.360
MAR-TRE-e82e6c98-68
0.359
MAR-TRE-4f781e27-75
0.356
MAR-TRE-a9136c7b-24
0.353
MAR-TRE-e82e6c98-6
0.352
MAR-TRE-66ac689e-53
0.352
MAR-TRE-c317dd82-4
0.349
MAR-TRE-be9ff7d2-99
0.348
MAR-TRE-a9136c7b-37
0.348
MAR-TRE-be9ff7d2-67
0.347
MAR-TRE-8190bb11-85
0.346
MAR-TRE-be9ff7d2-92
0.345
MAR-TRE-c317dd82-40
0.341
MAR-TRE-799db12b-64
0.341
MAR-TRE-66ac689e-54
0.341
MAR-TRE-92684b97-78
0.338
MAR-TRE-be9ff7d2-90
0.338
MAR-TRE-92684b97-52
0.338
MAR-TRE-c317dd82-55
0.337
MAR-TRE-e82e6c98-81
0.337
MAR-TRE-be9ff7d2-89
0.337
MAR-TRE-8190bb11-40
0.337
MAR-TRE-9d18ae8c-84
0.337
MAR-TRE-9d18ae8c-36
0.337
MAR-TRE-a9136c7b-7
0.337
MAR-TRE-66ac689e-69
0.337
MAR-TRE-8190bb11-2
0.337
MAR-TRE-c317dd82-32
0.337
MAR-TRE-c317dd82-49
0.333
MAR-TRE-be9ff7d2-12
0.333
MAR-TRE-be9ff7d2-35
0.333
MAR-TRE-a9136c7b-11
0.333
MAR-TRE-92684b97-74
0.333
MAR-TRE-be9ff7d2-59
0.333
MAR-TRE-be9ff7d2-11
0.333
MAR-TRE-799db12b-18
0.330
MAR-TRE-799db12b-51
0.330
MAR-TRE-e82e6c98-64
0.330
MAR-TRE-92684b97-96
0.330
MAR-TRE-66ac689e-26
0.329
MAR-TRE-4f781e27-90
0.329
MAR-TRE-9d18ae8c-89
0.329
MAR-TRE-4f781e27-99
0.329
MAR-TRE-8190bb11-24
0.329
MAR-TRE-799db12b-4
0.326
MAR-TRE-799db12b-65
0.326
MAR-TRE-799db12b-59
0.326
MAR-TRE-e82e6c98-10
0.326
MAR-TRE-e82e6c98-79
0.326
MAR-TRE-4f781e27-100
0.326
MAR-TRE-be9ff7d2-18
0.326
MAR-TRE-c317dd82-73
0.325
MAR-TRE-c317dd82-22
0.323
MAR-TRE-8190bb11-39
0.322
MAR-TRE-4f781e27-48
0.322
MAR-TRE-c317dd82-74
0.322
MAR-TRE-e82e6c98-97
0.322
MAR-TRE-799db12b-72
0.322
MAR-TRE-9d18ae8c-55
0.322
MAR-TRE-c317dd82-33
0.322
MAR-TRE-c317dd82-6
0.322
MAR-TRE-e82e6c98-91
0.322
MAR-TRE-66ac689e-20
0.322
MAR-TRE-e82e6c98-54
0.321
MAR-TRE-8190bb11-13
0.321
MAR-TRE-be9ff7d2-33
0.320
MAR-TRE-be9ff7d2-52
0.319
MAR-TRE-8190bb11-83
0.319
MAR-TRE-799db12b-62
0.319
MAR-TRE-92684b97-53
0.318
MAR-TRE-8190bb11-86
0.318
MAR-TRE-66ac689e-21
0.318
MAR-TRE-e82e6c98-93
0.318
MAR-TRE-be9ff7d2-19
0.318